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Glycine, N-[N5-[imino[(trifluoroacetyl)amino]methyl]-N2-[1-[S-(2-methoxy-2-oxoethyl)-N-(trifluoroacetyl)-L-cysteinyl]-L-prolyl]-L-ornithyl]-, methyl ester

View entire compound with spectra: 1 MS (GC)

Glycine, N-[N5-[imino[(trifluoroacetyl)amino]methyl]-N2-[1-[S-(2-methoxy-2-oxoethyl)-N-(trifluoroacetyl)-L-cysteinyl]-L-prolyl]-L-ornithyl]-, methyl ester
SpectraBase Compound ID AvWssHF5xz5
InChI InChI=1S/C24H33F6N7O9S/c1-45-15(38)9-33-17(40)12(5-3-7-32-22(31)36-21(44)24(28,29)30)34-18(41)14-6-4-8-37(14)19(42)13(10-47-11-16(39)46-2)35-20(43)23(25,26)27/h12-14H,3-11H2,1-2H3,(H,33,40)(H,34,41)(H,35,43)(H3,31,32,36,44)
InChIKey VDYZDEUKGROUTH-UHFFFAOYSA-N
Mol Weight 709.6 g/mol
Molecular Formula C24H33F6N7O9S
Exact Mass 709.196466 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IYUr9ASZX4b
Name Glycine, N-[N5-[imino[(trifluoroacetyl)amino]methyl]-N2-[1-[S-(2-methoxy-2-oxoethyl)-N-(trifluoroacetyl)-L-cysteinyl]-L-prolyl]-L-ornithyl]-, methyl ester
CAS Registry Number 72060-17-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H33F6N7O9S
InChI InChI=1S/C24H33F6N7O9S/c1-45-15(38)9-33-17(40)12(5-3-7-32-22(31)36-21(44)24(28,29)30)34-18(41)14-6-4-8-37(14)19(42)13(10-47-11-16(39)46-2)35-20(43)23(25,26)27/h12-14H,3-11H2,1-2H3,(H,33,40)(H,34,41)(H,35,43)(H3,31,32,36,44)
InChIKey VDYZDEUKGROUTH-UHFFFAOYSA-N
Molecular Weight 709.618 g/mol
SMILES N(C(C1N(C(C(CSCC(OC)=O)NC(C(F)(F)F)=O)=O)CCC1)=O)C(CCC\N=C\(NC(C(F)(F)F)=O)N)C(NCC(OC)=O)=O
SPLASH splash10-001l-2159000000-b1e40b416a1bc6588f37
Source of Spectrum AB-207-250-1
Synonyms Methyl ((3-(2-([(4-((imino[(trifluoroacetyl)amino]methyl)amino)-1-([(2-methoxy-2-oxoethyl)amino]carbonyl)butyl)amino]carbonyl)-1-pyrrolidinyl)-3-oxo-2-[(trifluoroacetyl)amino]propyl)sulfanyl)acetate 2-[[5-[[amino-[(2,2,2-trifluoro-1-oxoethyl)amino]methylidene]amino]-2-[[[1-[3-[(2-methoxy-2-oxoethyl)thio]-1-oxo-2-[(2,2,2-trifluoro-1-oxoethyl)amino]propyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxopentyl]amino]acetic acid methyl ester 2-[[5-[[amino-[(2,2,2-trifluoroacetyl)amino]methylene]amino]-2-[[1-[3-[(2-keto-2-methoxy-ethyl)thio]-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]prolyl]amino]pentanoyl]amino]acetic acid methyl ester Methyl 2-[[5-[[amino-[(2,2,2-trifluoroacetyl)amino]methylene]amino]-2-[[1-[3-(2-methoxy-2-oxo-ethyl)sulfanyl-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetate Methyl 2-[[5-[[amino-[(2,2,2-trifluoroacetyl)amino]methylidene]amino]-2-[[1-[3-(2-methoxy-2-oxoethyl)sulfanyl-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetate Methyl 2-[[5-[[azanyl-[2,2,2-tris(fluoranyl)ethanoylamino]methylidene]amino]-2-[[1-[3-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]pentanoyl]amino]ethanoate
Wiley ID 1415312